(4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone

C19H24N4OS — CID 53145655

IUPAC(4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
SMILESCC1CCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)CC1
InChIInChI=1S/C19H24N4OS/c1-14-6-10-23(11-7-14)19(24)16-13-25-18(21-16)15-4-5-17(20-12-15)22-8-2-3-9-22/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyMATKYPZHHSMXJE-UHFFFAOYSA-N
MW356.50 g/mol
LogP3.68
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone

(4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (PubChem CID 53145655) has the molecular formula C19H24N4OS and a molecular weight of 356.50 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
PubChem CID53145655
Molecular FormulaC19H24N4OS
Molecular Weight356.50 g/mol
Exact Mass356.17
IUPAC Name(4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone
SMILESCC1CCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)CC1
InChIInChI=1S/C19H24N4OS/c1-14-6-10-23(11-7-14)19(24)16-13-25-18(21-16)15-4-5-17(20-12-15)22-8-2-3-9-22/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyMATKYPZHHSMXJE-UHFFFAOYSA-N
XLogP3.68
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.50
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone (CID 53145655) is (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is CC1CCN(C(=O)c2csc(-c3ccc(N4CCCC4)nc3)n2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is MATKYPZHHSMXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4OS/c1-14-6-10-23(11-7-14)19(24)16-13-25-18(21-16)15-4-5-17(20-12-15)22-8-2-3-9-22/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone?
(4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 356.50 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[2-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 53145655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).